Compound Detail
CHEMBL179472
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL179472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CELAAZUTSNRGKM-QGZVFWFLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
5.72
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.64 | 9.64 | 0.2 | 2 |
| Histamine H3 receptor CHEMBL4124 | Ki | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.23 | nM | 9.64 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
| Histamine H3 receptor | Ki | = | 0.2291 | nM | 9.64 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
| Histamine H3 receptor | Ki | = | 1.0 | nM | 9.0 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
| Histamine H3 receptor | Ki | = | 1.0 | nM | 9.0 | In vitro binding affinity was determined as displacement of [3H]N-R-methylhistam... | 15634000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634000 | 10.1021/jm040118g | Histamine H3 receptor | 5 |
Data from ChEMBL 36 via Core Engine